2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3[O-]

Isomeric SMILES

CCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3[O-]

InChI

InChI=1S/C23H31N3O/c1-2-3-4-5-6-7-12-17-26-21-15-10-9-14-20(21)25-23(26)24-18-19-13-8-11-16-22(19)27/h8-11,13-16H,2-7,12,17-18H2,1H3,(H2,24,25,27)